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Triamterene-d5

CAT: 0572-TRC-T767327-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T767327-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189922-23-3
Synonyms
Triamterene D5 (ring D5); Triamterene D5 (phenyl D5); 6-(2,3,4,5,6-Pentadeuteriophenyl)pteridine-2,4,7-triamine
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c([2H])c(c([2H])c1[2H])c2nc3c(N)nc(N)nc3nc2N
Molecular Formula
C12 D5 H6 N7
Molecular Weight
258.293
InChI
InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)/i1D,2D,3D,4D,5D
Additionnal Information
IUPAC name: 6-(2,3,4,5,6-pentadeuteriophenyl)pteridine-2,4,7-triamine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Triamterene-d5
CAS Number1189922-23-3
PubChem CID45040581
IUPAC Name6-(2,3,4,5,6-pentadeuteriophenyl)pteridine-2,4,7-triamine
Molecular FormulaC12H11N7
Molecular Weight258.29
XLogP1
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity306
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=NC3=C(N=C(N=C3N=C2N)N)N)[2H])[2H]
InChI
InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)/i1D,2D,3D,4D,5D
InChIKey
FNYLWPVRPXGIIP-RALIUCGRSA-N
Chemical Structure
2D Structure
2D structure of Triamterene-d5
CAS: 1189922-23-3
CID: 45040581
Formula: C12H11N7
MW: 258.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.29
XLogP31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass258.13897711
Monoisotopic Mass258.13897711
Topological Polar Surface Area130 Ų
Heavy Atom Count19
Formal Charge0
Complexity306
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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